| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.8 | Very low | 57.4 | Low | 244 Ų | 244 | 118.8 Ų | 118.8 | 100% | 1.202 | 65% | 0.652 | S | S | * | * | 0 | 109.8 | 0 | -77 | 165 | 168.5 | 0 | 0 | 106.8 | |||||
| 2 | V | 48.5 | Very low | 58 | Low | 120 Ų | 120 | 113.9 Ų | 113.9 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | trans | -91.5 | 140.3 | -169 | -72.8 | 0 | 0 | 0 | 0 | 109.7 | L4 | V2-L4 HydrophobicContact CB-CD1 4.49Å; V2-L4 HydrophobicContact CG2-CD1 3.51Å; V2-L4 PolarHBondContact O-N 3.21Å | ||
| 3 | N | 50 | Low | 58.4 | Low | 119 Ų | 119 | 110.6 Ų | 110.6 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | trans | -66 | 61.6 | -178.9 | -79 | -68.6 | 0 | 0 | 0 | 112.7 | G5 L6 T7 | N3-G5 PolarHBondContact O-N 3.02Å; N3-L6 HydrophobicContact CB-CB 4.33Å; N3-L6 HydrophobicContact CB-CD1 3.95Å; N3-L6 PolarHBondContact O-N 3.01Å; N3-T7 PolarHBondContact O-N 2.86Å; N3-T7 PolarHBondContact O-OG1 3.27Å | ||
| 4 | L | 58.8 | Low | 58.6 | Low | 122 Ų | 122 | 104.3 Ų | 104.3 | 64% | 0.639 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.2 | -25.2 | -179.5 | -120.3 | 81.9 | 0 | 0 | 0 | 112.8 | V2 T7 K8 | V2-L4 HydrophobicContact CB-CD1 4.49Å; V2-L4 HydrophobicContact CG2-CD1 3.51Å; V2-L4 PolarHBondContact O-N 3.21Å; L4-T7 WeakPolarHBondContact CA-OG1 3.44Å; L4-T7 PolarHBondContact O-OG1 2.9Å; L4-K8 PolarHBondContact O-N 3.22Å |
| 5 | G | 60.1 | Low | 58.8 | Low | 53 Ų | 53 | 103 Ų | 103 | 55% | 0.546 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72.5 | -41 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N3 V9 | N3-G5 PolarHBondContact O-N 3.02Å; G5-V9 VanDerWaalsContact O-CG2 3.3Å; G5-V9 WeakPolarHBondContact O-CG2 3.21Å; G5-V9 PolarHBondContact O-N 3.48Å |
| 6 | L | 60.4 | Low | 59.2 | Low | 106 Ų | 106 | 107.1 Ų | 107.1 | 56% | 0.555 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66 | -45.6 | 177.3 | -88.1 | 141.7 | 0 | 0 | 0 | 110.8 | N3 K8 V9 D10 | N3-L6 HydrophobicContact CB-CB 4.33Å; N3-L6 HydrophobicContact CB-CD1 3.95Å; N3-L6 PolarHBondContact O-N 3.01Å; L6-K8 VanDerWaalsContact C-N 3.32Å; L6-K8 PolarHBondContact O-N 3.36Å; L6-V9 PolarHBondContact O-N 3.32Å; L6-V9 VanDerWaalsContact O-N 3.1Å; L6-D10 PolarHBondContact O-N 3.27Å; L6-D10 VanDerWaalsContact O-OD2 3.08Å |
| 7 | T | 60.7 | Low | 59.2 | Low | 80 Ų | 80 | 105.7 Ų | 105.7 | 49% | 0.491 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.6 | -36.5 | 179.2 | 48 | 0 | 0 | 0 | 0 | 113.2 | N3 L4 D11 | N3-T7 PolarHBondContact O-N 2.86Å; N3-T7 PolarHBondContact O-OG1 3.27Å; L4-T7 WeakPolarHBondContact CA-OG1 3.44Å; L4-T7 PolarHBondContact O-OG1 2.9Å; T7-D11 PolarHBondContact O-N 2.88Å |
| 8 | K | 60.7 | Low | 59.2 | Low | 165 Ų | 165 | 104.8 Ų | 104.8 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.2 | -34.5 | 175.9 | -102.2 | -165.4 | 178.1 | 176.1 | 0 | 113 | L4 L6 A12 | L4-K8 PolarHBondContact O-N 3.22Å; L6-K8 VanDerWaalsContact C-N 3.32Å; L6-K8 PolarHBondContact O-N 3.36Å; K8-A12 WeakPolarHBondContact O-CB 3.31Å; K8-A12 PolarHBondContact O-N 3.46Å |
| 9 | V | 65.1 | Low | 59.4 | Low | 86 Ų | 86 | 99.3 Ų | 99.3 | 52% | 0.521 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.5 | -41.7 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 109.7 | G5 L6 A12 I13 | G5-V9 VanDerWaalsContact O-CG2 3.3Å; G5-V9 WeakPolarHBondContact O-CG2 3.21Å; G5-V9 PolarHBondContact O-N 3.48Å; L6-V9 PolarHBondContact O-N 3.32Å; L6-V9 VanDerWaalsContact O-N 3.1Å; V9-A12 PolarHBondContact O-N 3Å; V9-I13 HydrophobicContact CG1-CD1 3.55Å; V9-I13 HydrophobicContact CG1-CG1 4.4Å; V9-I13 WeakPolarHBondContact O-CB 3.1Å; V9-I13 WeakPolarHBondContact O-CD1 3.32Å; V9-I13 WeakPolarHBondContact O-CG1 3.43Å; V9-I13 PolarHBondContact O-N 3.03Å |
| 10 | D | 65.1 | Low | 59.5 | Low | 99 Ų | 99 | 98.5 Ų | 98.5 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.8 | -44 | 172.1 | -80.9 | -66.3 | 0 | 0 | 0 | 112.1 | L6 I13 A14 | L6-D10 PolarHBondContact O-N 3.27Å; L6-D10 VanDerWaalsContact O-OD2 3.08Å; D10-I13 PolarHBondContact O-N 3.4Å; D10-A14 WeakPolarHBondContact O-CB 3.23Å; D10-A14 PolarHBondContact O-N 3.18Å |
| 11 | D | 63.4 | Low | 59.8 | Low | 113 Ų | 113 | 100.4 Ų | 100.4 | 60% | 0.604 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.2 | -40.2 | 175.9 | -89.8 | -27.9 | 0 | 0 | 0 | 112.6 | T7 I13 A15 | T7-D11 PolarHBondContact O-N 2.88Å; D11-I13 VanDerWaalsContact C-N 3.33Å; D11-A15 WeakPolarHBondContact O-CB 3.44Å; D11-A15 PolarHBondContact O-N 2.82Å |
| 12 | A | 64.3 | Low | 61 | Low | 60 Ų | 60 | 91.6 Ų | 91.6 | 50% | 0.496 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.3 | -32 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K8 V9 | K8-A12 WeakPolarHBondContact O-CB 3.31Å; K8-A12 PolarHBondContact O-N 3.46Å; V9-A12 PolarHBondContact O-N 3Å |
| 13 | I | 63.3 | Low | 61.6 | Low | 71 Ų | 71 | 90.1 Ų | 90.1 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -78.1 | -40.8 | 175.4 | -70.5 | 166.9 | 0 | 0 | 0 | 110.7 | V9 D10 D11 A15 K16 H17 L20 | V9-I13 HydrophobicContact CG1-CD1 3.55Å; V9-I13 HydrophobicContact CG1-CG1 4.4Å; V9-I13 WeakPolarHBondContact O-CB 3.1Å; V9-I13 WeakPolarHBondContact O-CD1 3.32Å; V9-I13 WeakPolarHBondContact O-CG1 3.43Å; V9-I13 PolarHBondContact O-N 3.03Å; D10-I13 PolarHBondContact O-N 3.4Å; D11-I13 VanDerWaalsContact C-N 3.33Å; I13-A15 PolarHBondContact O-N 3.47Å; I13-K16 PolarHBondContact O-N 3.47Å; I13-H17 PolarHBondContact O-N 3.29Å; I13-L20 HydrophobicContact CG2-CD2 4.28Å |
| 14 | A | 61.8 | Low | 62.4 | Low | 22 Ų | 22 | 87 Ų | 87 | 18% | 0.182 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -61.9 | -33.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | D10 K16 H17 P18 | D10-A14 WeakPolarHBondContact O-CB 3.23Å; D10-A14 PolarHBondContact O-N 3.18Å; A14-K16 VanDerWaalsContact C-N 3.32Å; A14-K16 PolarHBondContact O-N 3.48Å; A14-H17 CarbonylContact O-C 3.4Å; A14-P18 WeakPolarHBondContact O-CA 3.19Å |
| 15 | A | 60.7 | Low | 62.8 | Low | 85 Ų | 85 | 84.1 Ų | 84.1 | 70% | 0.702 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.1 | -28.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D11 I13 | D11-A15 WeakPolarHBondContact O-CB 3.44Å; D11-A15 PolarHBondContact O-N 2.82Å; I13-A15 PolarHBondContact O-N 3.47Å |
| 16 | K | 65.1 | Low | 63 | Low | 169 Ų | 169 | 83.3 Ų | 83.3 | 74% | 0.735 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -89.4 | -31.5 | 176.7 | -78.7 | -175.7 | 175.8 | -179.6 | 0 | 113.3 | I13 A14 | I13-K16 PolarHBondContact O-N 3.47Å; A14-K16 VanDerWaalsContact C-N 3.32Å; A14-K16 PolarHBondContact O-N 3.48Å |
| 17 | H | 59.1 | Low | 63.4 | Low | 83 Ų | 83 | 82 Ų | 82 | 38% | 0.384 | 46% | 0.463 | S | S | . | . | trans | -134.5 | 82.6 | 180 | -62.5 | -71.8 | 0 | 0 | 0 | 110.1 | I13 A14 G19 L20 E94 | I13-H17 PolarHBondContact O-N 3.29Å; A14-H17 CarbonylContact O-C 3.4Å; H17-G19 PolarHBondContact O-N 3.29Å; H17-L20 HydrophobicContact CB-CD1 3.95Å; H17-L20 PolarHBondContact O-N 3.18Å; H17-E94 IonicContact CE1-OE1 2.72Å; H17-E94 IonicContact ND1-OE1 3.69Å; H17-E94 PolarHBondContact ND1-OE1 3.42Å | ||
| 18 | P | 59.8 | Low | 63.8 | Low | 89 Ų | 89 | 81.5 Ų | 81.5 | 58% | 0.578 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.4 | -18.5 | -177.2 | 24.7 | -34 | 0 | 0 | 0 | 113.1 | A14 | A14-P18 WeakPolarHBondContact O-CA 3.19Å |
| 19 | G | 62.4 | Low | 64.2 | Low | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.01 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -67.9 | -32.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | H17 Q21 S22 Y23 W90 | H17-G19 PolarHBondContact O-N 3.29Å; G19-Q21 VanDerWaalsContact C-N 3.32Å; G19-Q21 PolarHBondContact O-N 2.89Å; G19-S22 WeakPolarHBondContact O-CB 3.35Å; G19-S22 PolarHBondContact O-N 3.48Å; G19-S22 VanDerWaalsContact O-N 3.07Å; G19-Y23 PolarHBondContact O-N 3.04Å; G19-W90 VanDerWaalsContact CA-NE1 3.31Å; G19-W90 PolarHBondContact O-NE1 2.85Å |
| 20 | L | 62.9 | Low | 64.5 | Low | 83 Ų | 83 | 75.2 Ų | 75.2 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | -170 | -122.5 | 105.3 | 0 | 0 | 0 | 112.9 | I13 H17 S22 Y23 A24 | I13-L20 HydrophobicContact CG2-CD2 4.28Å; H17-L20 HydrophobicContact CB-CD1 3.95Å; H17-L20 PolarHBondContact O-N 3.18Å; L20-S22 VanDerWaalsContact C-N 3.35Å; L20-Y23 PolarHBondContact O-N 3.44Å; L20-A24 PolarHBondContact O-N 2.92Å |
| 21 | Q | 64.3 | Low | 64.7 | Low | 138 Ų | 138 | 75.7 Ų | 75.7 | 65% | 0.645 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -68.8 | -37.7 | 178.2 | -157.4 | -170.9 | 17.1 | 0 | 0 | 111.4 | G19 A24 A25 | G19-Q21 VanDerWaalsContact C-N 3.32Å; G19-Q21 PolarHBondContact O-N 2.89Å; Q21-A24 PolarHBondContact O-N 3.27Å; Q21-A25 WeakPolarHBondContact O-CB 3.34Å; Q21-A25 PolarHBondContact O-N 3.41Å |
| 22 | S | 63.7 | Low | 65.4 | Low | 60 Ų | 60 | 77.5 Ų | 77.5 | 42% | 0.42 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 176.2 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | G19 L20 C26 | G19-S22 WeakPolarHBondContact O-CB 3.35Å; G19-S22 PolarHBondContact O-N 3.48Å; G19-S22 VanDerWaalsContact O-N 3.07Å; L20-S22 VanDerWaalsContact C-N 3.35Å; S22-C26 WeakPolarHBondContact O-CB 3.4Å; S22-C26 PolarHBondContact O-N 3.48Å |
| 23 | Y | 61.4 | Low | 66 | Low | 89 Ų | 89 | 78.9 Ų | 78.9 | 35% | 0.349 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 172.6 | 177.8 | -97.4 | 0 | 0 | 0 | 111.9 | G19 L20 C26 Q27 | G19-Y23 PolarHBondContact O-N 3.04Å; L20-Y23 PolarHBondContact O-N 3.44Å; Y23-C26 PolarHBondContact O-N 3.31Å; Y23-Q27 VanDerWaalsContact CE1-OE1 3.3Å; Y23-Q27 VanDerWaalsContact O-CB 3.29Å; Y23-Q27 WeakPolarHBondContact O-CB 3.26Å; Y23-Q27 PolarHBondContact O-N 3.38Å |
| 24 | A | 66.6 | Low | 66.6 | Low | 53 Ų | 53 | 75.8 Ų | 75.8 | 44% | 0.438 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L20 Q21 C26 Q27 S28 | L20-A24 PolarHBondContact O-N 2.92Å; Q21-A24 PolarHBondContact O-N 3.27Å; A24-C26 VanDerWaalsContact C-N 3.33Å; A24-C26 PolarHBondContact O-N 2.91Å; A24-Q27 PolarHBondContact O-N 3.02Å; A24-S28 PolarHBondContact O-N 3.4Å; A24-S28 VanDerWaalsContact O-N 3.16Å; A24-S28 PolarHBondContact O-OG 3.21Å |
| 25 | A | 67 | Low | 67.4 | Low | 61 Ų | 61 | 79.2 Ų | 79.2 | 50% | 0.504 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q21 S28 H29 | Q21-A25 WeakPolarHBondContact O-CB 3.34Å; Q21-A25 PolarHBondContact O-N 3.41Å; A25-S28 PolarHBondContact O-OG 2.96Å; A25-H29 WeakPolarHBondContact O-CB 3.4Å; A25-H29 PolarHBondContact O-N 3.42Å; A25-H29 VanDerWaalsContact O-N 3.13Å |
| 26 | C | 65.3 | Low | 68.4 | Low | 36 Ų | 36 | 76.9 Ų | 76.9 | 24% | 0.243 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -75.2 | -34.8 | -180 | -153 | 0 | 0 | 0 | 0 | 112.6 | S22 Y23 A24 H29 A30 C86 | S22-C26 WeakPolarHBondContact O-CB 3.4Å; S22-C26 PolarHBondContact O-N 3.48Å; Y23-C26 PolarHBondContact O-N 3.31Å; A24-C26 VanDerWaalsContact C-N 3.33Å; A24-C26 PolarHBondContact O-N 2.91Å; C26-H29 PolarHBondContact O-N 2.84Å; C26-A30 VanDerWaalsContact O-CB 3.31Å; C26-A30 WeakPolarHBondContact O-CB 3.18Å; C26-A30 PolarHBondContact O-N 3.22Å; C26-C86 VanDerWaalsContact C-SG 3.54Å; C26-C86 HydrophobicContact CB-CB 3.56Å; C26-C86 WeakPolarHBondContact CB-SG 3.36Å; C26-C86 PolarHBondContact O-SG 2.86Å; C26-C86 VanDerWaalsContact O-SG 3.33Å; C26-C86 WeakPolarHBondContact SG-CA 3.29Å; C26-C86 WeakPolarHBondContact SG-CB 3.44Å; C26-C86 CovalentContact SG-SG 2Å; C26-C86 PolarHBondContact SG-SG 3.38Å |
| 27 | Q | 69.1 | Low | 69.1 | Low | 78 Ų | 78 | 71.2 Ų | 71.2 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 173.9 | -178.5 | 177.2 | -3.2 | 0 | 0 | 110.8 | Y23 A24 H29 A30 F31 | Y23-Q27 VanDerWaalsContact CE1-OE1 3.3Å; Y23-Q27 VanDerWaalsContact O-CB 3.29Å; Y23-Q27 WeakPolarHBondContact O-CB 3.26Å; Y23-Q27 PolarHBondContact O-N 3.38Å; A24-Q27 PolarHBondContact O-N 3.02Å; Q27-H29 PolarHBondContact O-N 2.86Å; Q27-A30 PolarHBondContact O-N 3.44Å; Q27-F31 HydrophobicContact CG-CD2 3.76Å; Q27-F31 HydrophobicContact CG-CE2 3.54Å; Q27-F31 WeakPolarHBondContact O-CD2 3.47Å; Q27-F31 PolarHBondContact O-N 3.02Å |
| 28 | S | 68.6 | Low | 70 | Confident | 70 Ų | 70 | 71.1 Ų | 71.1 | 49% | 0.49 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 177.4 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | A24 A25 F31 M32 | A24-S28 PolarHBondContact O-N 3.4Å; A24-S28 VanDerWaalsContact O-N 3.16Å; A24-S28 PolarHBondContact O-OG 3.21Å; A25-S28 PolarHBondContact O-OG 2.96Å; S28-F31 PolarHBondContact O-N 2.83Å; S28-M32 WeakPolarHBondContact O-CB 3.31Å; S28-M32 PolarHBondContact O-N 3.31Å |
| 29 | H | 70.3 | Confident | 71.1 | Confident | 117 Ų | 117 | 69.4 Ų | 69.4 | 54% | 0.542 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 174.2 | -175.8 | -101.1 | 0 | 0 | 0 | 112.7 | A25 C26 Q27 M32 K33 | A25-H29 WeakPolarHBondContact O-CB 3.4Å; A25-H29 PolarHBondContact O-N 3.42Å; A25-H29 VanDerWaalsContact O-N 3.13Å; C26-H29 PolarHBondContact O-N 2.84Å; Q27-H29 PolarHBondContact O-N 2.86Å; H29-M32 PolarHBondContact O-N 2.93Å; H29-K33 WeakPolarHBondContact O-CB 3.32Å; H29-K33 PolarHBondContact O-N 3.38Å |
| 30 | A | 71.3 | Confident | 72.2 | Confident | 2 Ų | 2 | 75.7 Ų | 75.7 | 2% | 0.017 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | C26 Q27 G34 E82 | C26-A30 VanDerWaalsContact O-CB 3.31Å; C26-A30 WeakPolarHBondContact O-CB 3.18Å; C26-A30 PolarHBondContact O-N 3.22Å; Q27-A30 PolarHBondContact O-N 3.44Å; A30-G34 PolarHBondContact O-N 3.47Å; A30-E82 HydrophobicContact CB-CB 4.13Å |
| 31 | F | 69.4 | Low | 73.2 | Confident | 110 Ų | 110 | 73 Ų | 73 | 48% | 0.482 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 173.2 | -82.5 | -65.8 | 0 | 0 | 0 | 112.1 | Q27 S28 K33 G34 T35 | Q27-F31 HydrophobicContact CG-CD2 3.76Å; Q27-F31 HydrophobicContact CG-CE2 3.54Å; Q27-F31 WeakPolarHBondContact O-CD2 3.47Å; Q27-F31 PolarHBondContact O-N 3.02Å; S28-F31 PolarHBondContact O-N 2.83Å; F31-K33 PolarHBondContact O-N 2.96Å; F31-G34 PolarHBondContact O-N 2.92Å; F31-T35 PolarHBondContact O-N 2.88Å; F31-T35 PolarHBondContact O-OG1 3.34Å; F31-T35 VanDerWaalsContact O-OG1 3.09Å |
| 32 | M | 77.3 | Confident | 74 | Confident | 150 Ų | 150 | 68.7 Ų | 68.7 | 74% | 0.739 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65 | -41.8 | -180 | -166.9 | 158.9 | -70.9 | 0 | 0 | 112.1 | S28 H29 T35 G36 | S28-M32 WeakPolarHBondContact O-CB 3.31Å; S28-M32 PolarHBondContact O-N 3.31Å; H29-M32 PolarHBondContact O-N 2.93Å; M32-T35 PolarHBondContact O-N 2.91Å; M32-G36 PolarHBondContact O-N 3.12Å |
| 33 | K | 76.7 | Confident | 74.9 | Confident | 90 Ų | 90 | 70.2 Ų | 70.2 | 39% | 0.391 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 174.7 | -166.9 | 175.4 | -178.1 | -178.4 | 0 | 111.9 | H29 F31 G36 T37 E82 | H29-K33 WeakPolarHBondContact O-CB 3.32Å; H29-K33 PolarHBondContact O-N 3.38Å; F31-K33 PolarHBondContact O-N 2.96Å; K33-G36 PolarHBondContact O-N 2.95Å; K33-T37 WeakPolarHBondContact O-CB 3.39Å; K33-T37 VanDerWaalsContact O-CG2 3.31Å; K33-T37 WeakPolarHBondContact O-CG2 3.28Å; K33-T37 PolarHBondContact O-N 3.36Å; K33-T37 PolarHBondContact O-OG1 3.17Å; K33-E82 HydrophobicContact CD-CG 4.18Å; K33-E82 WeakPolarHBondContact CE-OE1 3.09Å; K33-E82 IonicContact NZ-OE1 3.99Å; K33-E82 PolarHBondContact NZ-OE1 3.49Å; K33-E82 IonicContact NZ-OE2 3.03Å |
| 34 | G | 75.4 | Confident | 76 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 5% | 0.052 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A30 F31 T37 F38 T79 | A30-G34 PolarHBondContact O-N 3.47Å; F31-G34 PolarHBondContact O-N 2.92Å; G34-T37 PolarHBondContact O-N 3.5Å; G34-T37 PolarHBondContact O-OG1 3.46Å; G34-F38 WeakPolarHBondContact O-CB 3.26Å; G34-F38 PolarHBondContact O-N 3.07Å; G34-T79 WeakPolarHBondContact CA-OG1 3.32Å |
| 35 | T | 79.3 | Confident | 76.8 | Confident | 95 Ų | 95 | 69.4 Ų | 69.4 | 58% | 0.583 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66 | -41.3 | 177.7 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | F31 M32 F38 A39 | F31-T35 PolarHBondContact O-N 2.88Å; F31-T35 PolarHBondContact O-OG1 3.34Å; F31-T35 VanDerWaalsContact O-OG1 3.09Å; M32-T35 PolarHBondContact O-N 2.91Å; T35-F38 PolarHBondContact O-N 2.88Å; T35-A39 PolarHBondContact O-N 3Å |
| 36 | G | 81.4 | Confident | 77.3 | Confident | 35 Ų | 35 | 71.3 Ų | 71.3 | 36% | 0.361 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | M32 K33 A39 L40 | M32-G36 PolarHBondContact O-N 3.12Å; K33-G36 PolarHBondContact O-N 2.95Å; G36-A39 PolarHBondContact O-N 3.3Å; G36-L40 WeakPolarHBondContact O-CB 3.47Å; G36-L40 WeakPolarHBondContact O-CG 3.42Å; G36-L40 PolarHBondContact O-N 3.47Å |
| 37 | T | 79.6 | Confident | 78.1 | Confident | 51 Ų | 51 | 72.4 Ų | 72.4 | 31% | 0.313 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.9 | -32.5 | 176.5 | 51.9 | 0 | 0 | 0 | 0 | 112.7 | K33 G34 G41 | K33-T37 WeakPolarHBondContact O-CB 3.39Å; K33-T37 VanDerWaalsContact O-CG2 3.31Å; K33-T37 WeakPolarHBondContact O-CG2 3.28Å; K33-T37 PolarHBondContact O-N 3.36Å; K33-T37 PolarHBondContact O-OG1 3.17Å; G34-T37 PolarHBondContact O-N 3.5Å; G34-T37 PolarHBondContact O-OG1 3.46Å; T37-G41 WeakPolarHBondContact O-CA 3.35Å; T37-G41 PolarHBondContact O-N 3.45Å |
| 38 | F | 79.3 | Confident | 78.8 | Confident | 81 Ų | 81 | 73.7 Ų | 73.7 | 36% | 0.355 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.9 | -51.9 | 170.7 | -178.4 | -109.5 | 0 | 0 | 0 | 111.7 | G34 T35 L40 G41 V42 S71 S75 | G34-F38 WeakPolarHBondContact O-CB 3.26Å; G34-F38 PolarHBondContact O-N 3.07Å; T35-F38 PolarHBondContact O-N 2.88Å; F38-L40 PolarHBondContact O-N 3.36Å; F38-G41 PolarHBondContact O-N 3.4Å; F38-G41 VanDerWaalsContact O-N 3.14Å; F38-V42 HydrophobicContact CD1-CG2 4.5Å; F38-V42 HydrophobicContact CD2-CG2 4.27Å; F38-V42 HydrophobicContact CE1-CG2 4.15Å; F38-V42 HydrophobicContact CE2-CG2 3.92Å; F38-V42 HydrophobicContact CZ-CG2 3.85Å; F38-V42 WeakPolarHBondContact O-CG2 3.4Å; F38-V42 PolarHBondContact O-N 3.2Å; F38-S71 WeakPolarHBondContact CD2-OG 3.39Å; F38-S75 WeakPolarHBondContact CA-OG 3.49Å; F38-S75 WeakPolarHBondContact CB-OG 2.94Å; F38-S75 WeakPolarHBondContact CD2-OG 3.28Å |
| 39 | A | 82.6 | Confident | 79.1 | Confident | 52 Ų | 52 | 71.4 Ų | 71.4 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T35 G36 T43 | T35-A39 PolarHBondContact O-N 3Å; G36-A39 PolarHBondContact O-N 3.3Å; A39-T43 WeakPolarHBondContact O-CB 3.3Å; A39-T43 PolarHBondContact O-N 3.03Å; A39-T43 PolarHBondContact O-OG1 3.02Å |
| 40 | L | 85.8 | Confident | 79.4 | Confident | 133 Ų | 133 | 71.1 Ų | 71.1 | 70% | 0.696 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.9 | -38.4 | 174.5 | -72.5 | 176.3 | 0 | 0 | 0 | 112.1 | G36 F38 T43 G44 | G36-L40 WeakPolarHBondContact O-CB 3.47Å; G36-L40 WeakPolarHBondContact O-CG 3.42Å; G36-L40 PolarHBondContact O-N 3.47Å; F38-L40 PolarHBondContact O-N 3.36Å; L40-T43 PolarHBondContact O-N 3.43Å; L40-G44 PolarHBondContact O-N 3.12Å |
| 41 | G | 82.1 | Confident | 79.8 | Confident | 28 Ų | 28 | 74 Ų | 74 | 29% | 0.289 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.5 | -52.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T37 F38 T43 G44 F45 | T37-G41 WeakPolarHBondContact O-CA 3.35Å; T37-G41 PolarHBondContact O-N 3.45Å; F38-G41 PolarHBondContact O-N 3.4Å; F38-G41 VanDerWaalsContact O-N 3.14Å; G41-T43 VanDerWaalsContact C-N 3.34Å; G41-T43 PolarHBondContact O-N 3.03Å; G41-G44 PolarHBondContact O-N 3.33Å; G41-F45 WeakPolarHBondContact O-CB 3.21Å; G41-F45 PolarHBondContact O-N 3.39Å |
| 42 | V | 81.3 | Confident | 80.1 | Confident | 46 Ų | 46 | 73.9 Ų | 73.9 | 28% | 0.279 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.5 | -46 | 177 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | F38 F46 S71 | F38-V42 HydrophobicContact CD1-CG2 4.5Å; F38-V42 HydrophobicContact CD2-CG2 4.27Å; F38-V42 HydrophobicContact CE1-CG2 4.15Å; F38-V42 HydrophobicContact CE2-CG2 3.92Å; F38-V42 HydrophobicContact CZ-CG2 3.85Å; F38-V42 WeakPolarHBondContact O-CG2 3.4Å; F38-V42 PolarHBondContact O-N 3.2Å; V42-F46 VanDerWaalsContact O-CB 3.28Å; V42-F46 WeakPolarHBondContact O-CB 3.35Å; V42-F46 PolarHBondContact O-N 3.21Å; V42-S71 VanDerWaalsContact CG2-OG 3.28Å; V42-S71 WeakPolarHBondContact CG2-OG 3.41Å |
| 43 | T | 83.6 | Confident | 79.7 | Confident | 93 Ų | 93 | 69.1 Ų | 69.1 | 57% | 0.571 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.4 | -44.2 | -178.4 | -51.7 | 0 | 0 | 0 | 0 | 111.4 | A39 L40 G41 F46 A47 | A39-T43 WeakPolarHBondContact O-CB 3.3Å; A39-T43 PolarHBondContact O-N 3.03Å; A39-T43 PolarHBondContact O-OG1 3.02Å; L40-T43 PolarHBondContact O-N 3.43Å; G41-T43 VanDerWaalsContact C-N 3.34Å; G41-T43 PolarHBondContact O-N 3.03Å; T43-F46 PolarHBondContact O-N 3.31Å; T43-A47 WeakPolarHBondContact O-CB 3.37Å; T43-A47 PolarHBondContact O-N 2.87Å |
| 44 | G | 85.1 | Confident | 79.5 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L40 G41 F46 A47 I48 | L40-G44 PolarHBondContact O-N 3.12Å; G41-G44 PolarHBondContact O-N 3.33Å; G44-F46 VanDerWaalsContact C-N 3.34Å; G44-F46 PolarHBondContact O-N 3.27Å; G44-A47 PolarHBondContact O-N 3.39Å; G44-I48 VanDerWaalsContact O-CG1 3.3Å; G44-I48 WeakPolarHBondContact O-CG1 3.31Å; G44-I48 PolarHBondContact O-N 2.89Å |
| 45 | F | 81.6 | Confident | 79.1 | Confident | 92 Ų | 92 | 81.2 Ų | 81.2 | 40% | 0.404 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 177.5 | -122.4 | -96.5 | 0 | 0 | 0 | 111.6 | G41 I48 Q49 | G41-F45 WeakPolarHBondContact O-CB 3.21Å; G41-F45 PolarHBondContact O-N 3.39Å; F45-I48 PolarHBondContact O-N 2.88Å; F45-Q49 HydrophobicContact CD1-CG 4.5Å; F45-Q49 WeakPolarHBondContact O-CB 3.29Å; F45-Q49 WeakPolarHBondContact O-CG 3.43Å; F45-Q49 PolarHBondContact O-N 3.49Å |
| 46 | F | 78.2 | Confident | 78.4 | Confident | 101 Ų | 101 | 82 Ų | 82 | 44% | 0.443 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 176.8 | -174.5 | -102.3 | 0 | 0 | 0 | 112.3 | V42 T43 G44 Q49 K50 | V42-F46 VanDerWaalsContact O-CB 3.28Å; V42-F46 WeakPolarHBondContact O-CB 3.35Å; V42-F46 PolarHBondContact O-N 3.21Å; T43-F46 PolarHBondContact O-N 3.31Å; G44-F46 VanDerWaalsContact C-N 3.34Å; G44-F46 PolarHBondContact O-N 3.27Å; F46-Q49 PolarHBondContact O-N 2.98Å; F46-K50 HydrophobicContact CE1-CG 4.16Å; F46-K50 HydrophobicContact CZ-CG 4.32Å; F46-K50 WeakPolarHBondContact O-CB 3.46Å; F46-K50 PolarHBondContact O-N 2.93Å |
| 47 | A | 83.2 | Confident | 77.6 | Confident | 58 Ų | 58 | 86.5 Ų | 86.5 | 48% | 0.479 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T43 G44 K50 A51 | T43-A47 WeakPolarHBondContact O-CB 3.37Å; T43-A47 PolarHBondContact O-N 2.87Å; G44-A47 PolarHBondContact O-N 3.39Å; A47-K50 PolarHBondContact O-N 2.96Å; A47-A51 PolarHBondContact O-N 2.94Å |
| 48 | I | 82.2 | Confident | 76.7 | Confident | 106 Ų | 106 | 91.6 Ų | 91.6 | 54% | 0.544 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 176.4 | -67.4 | 165.4 | 0 | 0 | 0 | 110.7 | G44 F45 K50 A51 L52 | G44-I48 VanDerWaalsContact O-CG1 3.3Å; G44-I48 WeakPolarHBondContact O-CG1 3.31Å; G44-I48 PolarHBondContact O-N 2.89Å; F45-I48 PolarHBondContact O-N 2.88Å; I48-K50 VanDerWaalsContact C-N 3.31Å; I48-K50 PolarHBondContact O-N 3.37Å; I48-A51 PolarHBondContact O-N 3.18Å; I48-L52 HydrophobicContact CG2-CD1 4.49Å; I48-L52 PolarHBondContact O-N 3.42Å |
| 49 | Q | 75.3 | Confident | 76.2 | Confident | 21 Ų | 21 | 91.7 Ų | 91.7 | 10% | 0.098 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 176.2 | -75 | 177.6 | -7.7 | 0 | 0 | 112 | F45 F46 L52 Q53 N63 | F45-Q49 HydrophobicContact CD1-CG 4.5Å; F45-Q49 WeakPolarHBondContact O-CB 3.29Å; F45-Q49 WeakPolarHBondContact O-CG 3.43Å; F45-Q49 PolarHBondContact O-N 3.49Å; F46-Q49 PolarHBondContact O-N 2.98Å; Q49-L52 PolarHBondContact O-N 2.9Å; Q49-Q53 WeakPolarHBondContact O-CG 3.09Å; Q49-Q53 PolarHBondContact O-N 3.12Å; Q49-N63 HydrophobicContact CG-CB 4.41Å; Q49-N63 PolarHBondContact NE2-O 3.18Å; Q49-N63 PolarHBondContact OE1-O 3.41Å |
| 50 | K | 76.6 | Confident | 75.3 | Confident | 111 Ų | 111 | 93.5 Ų | 93.5 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 174.1 | -93.7 | -74.9 | -173.2 | 164.8 | 0 | 113 | F46 A47 I48 Q53 | F46-K50 HydrophobicContact CE1-CG 4.16Å; F46-K50 HydrophobicContact CZ-CG 4.32Å; F46-K50 WeakPolarHBondContact O-CB 3.46Å; F46-K50 PolarHBondContact O-N 2.93Å; A47-K50 PolarHBondContact O-N 2.96Å; I48-K50 VanDerWaalsContact C-N 3.31Å; I48-K50 PolarHBondContact O-N 3.37Å; K50-Q53 PolarHBondContact O-N 3.22Å |
| 51 | A | 80.9 | Confident | 74.7 | Confident | 62 Ų | 62 | 95.4 Ų | 95.4 | 51% | 0.512 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | A47 I48 Q53 V54 | A47-A51 PolarHBondContact O-N 2.94Å; I48-A51 PolarHBondContact O-N 3.18Å; A51-Q53 VanDerWaalsContact C-N 3.34Å; A51-Q53 PolarHBondContact O-N 2.72Å; A51-V54 WeakPolarHBondContact O-CB 3.36Å; A51-V54 PolarHBondContact O-N 3.44Å |
| 52 | L | 74.9 | Confident | 74.4 | Confident | 109 Ų | 109 | 101.1 Ų | 101.1 | 57% | 0.571 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.7 | -34.7 | 176.1 | -115.2 | 76.7 | 0 | 0 | 0 | 112.7 | I48 Q49 V54 R55 L56 | I48-L52 HydrophobicContact CG2-CD1 4.49Å; I48-L52 PolarHBondContact O-N 3.42Å; Q49-L52 PolarHBondContact O-N 2.9Å; L52-V54 PolarHBondContact O-N 2.77Å; L52-R55 PolarHBondContact O-N 3.42Å; L52-L56 PolarHBondContact O-N 3.14Å |
| 53 | Q | 68.2 | Low | 74 | Confident | 49 Ų | 49 | 100.5 Ų | 100.5 | 23% | 0.229 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -61.8 | -23 | 176 | -81.8 | 175.7 | 5.3 | 0 | 0 | 113.7 | Q49 K50 A51 R55 | Q49-Q53 WeakPolarHBondContact O-CG 3.09Å; Q49-Q53 PolarHBondContact O-N 3.12Å; K50-Q53 PolarHBondContact O-N 3.22Å; A51-Q53 VanDerWaalsContact C-N 3.34Å; A51-Q53 PolarHBondContact O-N 2.72Å; Q53-R55 PolarHBondContact O-N 2.78Å |
| 54 | V | 72.4 | Confident | 73.5 | Confident | 125 Ų | 125 | 98.6 Ų | 98.6 | 76% | 0.758 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -26 | 174.4 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | A51 L52 | A51-V54 WeakPolarHBondContact O-CB 3.36Å; A51-V54 PolarHBondContact O-N 3.44Å; L52-V54 PolarHBondContact O-N 2.77Å |
| 55 | R | 68.3 | Low | 73.4 | Confident | 224 Ų | 224 | 101.3 Ų | 101.3 | 85% | 0.845 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -29 | -176.3 | -81 | -72.6 | -168.3 | 150.3 | 0.7 | 114.4 | L52 Q53 | L52-R55 PolarHBondContact O-N 3.42Å; Q53-R55 PolarHBondContact O-N 2.78Å |
| 56 | L | 65 | Low | 73.4 | Confident | 111 Ų | 111 | 100.8 Ų | 100.8 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -134.3 | 110.9 | -176.8 | -75.9 | 161.6 | 0 | 0 | 0 | 109.8 | L52 Y58 | L52-L56 PolarHBondContact O-N 3.14Å; L56-Y58 VanDerWaalsContact C-N 3.34Å; L56-Y58 PolarHBondContact O-N 2.81Å |
| 57 | P | 63.3 | Low | 73.3 | Confident | 131 Ų | 131 | 96.2 Ų | 96.2 | 85% | 0.851 | 49% | 0.493 | S | S | * | . | trans | -73.8 | 85.8 | 178.5 | 28.9 | -32.6 | 0 | 0 | 0 | 110.5 | ||||
| 58 | Y | 61.2 | Low | 73.2 | Confident | 158 Ų | 158 | 97.9 Ų | 97.9 | 62% | 0.62 | 49% | 0.493 | S | S | * | . | trans | -102.9 | 144.1 | 174.3 | -124.9 | -101.6 | 0 | 0 | 0 | 110.5 | L56 L60 | L56-Y58 VanDerWaalsContact C-N 3.34Å; L56-Y58 PolarHBondContact O-N 2.81Å; Y58-L60 PolarHBondContact O-N 3.09Å | ||
| 59 | P | 67.6 | Low | 73.4 | Confident | 83 Ų | 83 | 96.3 Ų | 96.3 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | trans | -59.2 | 126.6 | -176.6 | 22.5 | -33.9 | 0 | 0 | 0 | 112.3 | Q61 W62 | P59-Q61 PolarHBondContact O-N 2.86Å; P59-W62 PolarHBondContact O-N 2.88Å | ||
| 60 | L | 65.1 | Low | 73.9 | Confident | 89 Ų | 89 | 96.7 Ų | 96.7 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -28.8 | -170.5 | -151.4 | 139.1 | 0 | 0 | 0 | 113.1 | Y58 W62 N63 V64 | Y58-L60 PolarHBondContact O-N 3.09Å; L60-W62 VanDerWaalsContact C-N 3.35Å; L60-W62 PolarHBondContact O-N 3.21Å; L60-N63 PolarHBondContact O-N 3.07Å; L60-V64 HydrophobicContact CD2-CG2 4.09Å; L60-V64 WeakPolarHBondContact O-CG2 3.13Å; L60-V64 PolarHBondContact O-N 3.45Å |
| 61 | Q | 73.3 | Confident | 74 | Confident | 173 Ų | 173 | 91.7 Ų | 91.7 | 81% | 0.808 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.3 | -37.4 | -179.9 | -64.8 | -174.8 | -47.3 | 0 | 0 | 113 | P59 L65 | P59-Q61 PolarHBondContact O-N 2.86Å; Q61-L65 PolarHBondContact O-N 3.03Å |
| 62 | W | 75.4 | Confident | 74 | Confident | 149 Ų | 149 | 91.9 Ų | 91.9 | 56% | 0.564 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -78 | -32.3 | -176.1 | -144.8 | -153.7 | 0 | 0 | 0 | 112.6 | P59 L60 L65 I66 | P59-W62 PolarHBondContact O-N 2.88Å; L60-W62 VanDerWaalsContact C-N 3.35Å; L60-W62 PolarHBondContact O-N 3.21Å; W62-L65 HydrophobicContact CE3-CB 3.91Å; W62-L65 HydrophobicContact CE3-CD1 4.25Å; W62-L65 HydrophobicContact CE3-CD2 4.36Å; W62-L65 HydrophobicContact CE3-CG 4.38Å; W62-L65 HydrophobicContact CH2-CD2 4.34Å; W62-L65 HydrophobicContact CZ3-CB 4.06Å; W62-L65 HydrophobicContact CZ3-CD1 3.85Å; W62-L65 HydrophobicContact CZ3-CD2 3.66Å; W62-L65 HydrophobicContact CZ3-CG 4.04Å; W62-L65 PolarHBondContact O-N 2.95Å; W62-I66 HydrophobicContact CD2-CD1 4.5Å; W62-I66 HydrophobicContact CG-CD1 4.29Å; W62-I66 WeakPolarHBondContact O-CB 3.47Å; W62-I66 WeakPolarHBondContact O-CD1 3.04Å; W62-I66 WeakPolarHBondContact O-CG1 3.28Å; W62-I66 PolarHBondContact O-N 3.49Å |
| 63 | N | 72.4 | Confident | 74.6 | Confident | 32 Ų | 32 | 93.9 Ų | 93.9 | 17% | 0.171 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -64.4 | -45 | 173.9 | -71.5 | -43.8 | 0 | 0 | 0 | 112.1 | Q49 L60 L65 I66 S67 | Q49-N63 HydrophobicContact CG-CB 4.41Å; Q49-N63 PolarHBondContact NE2-O 3.18Å; Q49-N63 PolarHBondContact OE1-O 3.41Å; L60-N63 PolarHBondContact O-N 3.07Å; N63-L65 VanDerWaalsContact C-N 3.34Å; N63-L65 PolarHBondContact O-N 2.9Å; N63-I66 PolarHBondContact O-N 2.99Å; N63-S67 WeakPolarHBondContact O-CB 3.4Å; N63-S67 PolarHBondContact O-N 3.49Å |
| 64 | V | 74.3 | Confident | 75.2 | Confident | 54 Ų | 54 | 95.7 Ų | 95.7 | 33% | 0.327 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 179.1 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | L60 S67 I68 | L60-V64 HydrophobicContact CD2-CG2 4.09Å; L60-V64 WeakPolarHBondContact O-CG2 3.13Å; L60-V64 PolarHBondContact O-N 3.45Å; V64-S67 WeakPolarHBondContact O-CB 3.41Å; V64-S67 PolarHBondContact O-N 3.29Å; V64-I68 HydrophobicContact CG1-CD1 3.79Å; V64-I68 VanDerWaalsContact O-CG1 3.31Å; V64-I68 WeakPolarHBondContact O-CG1 3.47Å; V64-I68 PolarHBondContact O-N 3.45Å |
| 65 | L | 82.8 | Confident | 75.4 | Confident | 90 Ų | 90 | 90.4 Ų | 90.4 | 47% | 0.471 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | -178.8 | -151.2 | 146.7 | 0 | 0 | 0 | 111.4 | Q61 W62 N63 S67 I68 V69 | Q61-L65 PolarHBondContact O-N 3.03Å; W62-L65 HydrophobicContact CE3-CB 3.91Å; W62-L65 HydrophobicContact CE3-CD1 4.25Å; W62-L65 HydrophobicContact CE3-CD2 4.36Å; W62-L65 HydrophobicContact CE3-CG 4.38Å; W62-L65 HydrophobicContact CH2-CD2 4.34Å; W62-L65 HydrophobicContact CZ3-CB 4.06Å; W62-L65 HydrophobicContact CZ3-CD1 3.85Å; W62-L65 HydrophobicContact CZ3-CD2 3.66Å; W62-L65 HydrophobicContact CZ3-CG 4.04Å; W62-L65 PolarHBondContact O-N 2.95Å; N63-L65 VanDerWaalsContact C-N 3.34Å; N63-L65 PolarHBondContact O-N 2.9Å; L65-S67 VanDerWaalsContact C-N 3.35Å; L65-S67 PolarHBondContact O-N 3.5Å; L65-I68 PolarHBondContact O-N 3.09Å; L65-V69 HydrophobicContact CD2-CG2 4.07Å; L65-V69 VanDerWaalsContact O-CG2 3.31Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 2.93Å |
| 66 | I | 80.3 | Confident | 75.9 | Confident | 80 Ų | 80 | 86.5 Ų | 86.5 | 41% | 0.41 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 175.4 | -65.9 | 166.2 | 0 | 0 | 0 | 111.2 | W62 N63 A70 | W62-I66 HydrophobicContact CD2-CD1 4.5Å; W62-I66 HydrophobicContact CG-CD1 4.29Å; W62-I66 WeakPolarHBondContact O-CB 3.47Å; W62-I66 WeakPolarHBondContact O-CD1 3.04Å; W62-I66 WeakPolarHBondContact O-CG1 3.28Å; W62-I66 PolarHBondContact O-N 3.49Å; N63-I66 PolarHBondContact O-N 2.99Å; I66-A70 WeakPolarHBondContact O-CB 3.43Å; I66-A70 PolarHBondContact O-N 3.48Å |
| 67 | S | 77.6 | Confident | 76.7 | Confident | 5 Ų | 5 | 84 Ų | 84 | 4% | 0.035 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 176.3 | -178.9 | 0 | 0 | 0 | 0 | 112 | N63 V64 L65 S71 | N63-S67 WeakPolarHBondContact O-CB 3.4Å; N63-S67 PolarHBondContact O-N 3.49Å; V64-S67 WeakPolarHBondContact O-CB 3.41Å; V64-S67 PolarHBondContact O-N 3.29Å; L65-S67 VanDerWaalsContact C-N 3.35Å; L65-S67 PolarHBondContact O-N 3.5Å; S67-S71 WeakPolarHBondContact O-CB 3.36Å; S67-S71 PolarHBondContact O-N 3Å |
| 68 | I | 80.3 | Confident | 77.4 | Confident | 93 Ų | 93 | 79.6 Ų | 79.6 | 48% | 0.477 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.1 | -46.5 | -178.7 | -67.6 | 167 | 0 | 0 | 0 | 110.5 | V64 L65 S71 S72 | V64-I68 HydrophobicContact CG1-CD1 3.79Å; V64-I68 VanDerWaalsContact O-CG1 3.31Å; V64-I68 WeakPolarHBondContact O-CG1 3.47Å; V64-I68 PolarHBondContact O-N 3.45Å; L65-I68 PolarHBondContact O-N 3.09Å; I68-S71 PolarHBondContact O-N 2.94Å; I68-S72 VanDerWaalsContact O-CB 3.26Å; I68-S72 WeakPolarHBondContact O-CB 3.49Å; I68-S72 PolarHBondContact O-N 2.88Å |
| 69 | V | 87.2 | Confident | 77.9 | Confident | 74 Ų | 74 | 73.4 Ų | 73.4 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 179.5 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | L65 S72 F73 | L65-V69 HydrophobicContact CD2-CG2 4.07Å; L65-V69 VanDerWaalsContact O-CG2 3.31Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 2.93Å; V69-S72 PolarHBondContact O-N 2.63Å; V69-F73 HydrophobicContact CG1-CD2 4.28Å; V69-F73 PolarHBondContact O-N 3.46Å |
| 70 | A | 84.3 | Confident | 78.2 | Confident | 29 Ų | 29 | 75.7 Ų | 75.7 | 24% | 0.24 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I66 S72 F73 C74 | I66-A70 WeakPolarHBondContact O-CB 3.43Å; I66-A70 PolarHBondContact O-N 3.48Å; A70-S72 VanDerWaalsContact C-N 3.33Å; A70-S72 PolarHBondContact O-N 2.85Å; A70-F73 PolarHBondContact O-N 3.4Å; A70-C74 WeakPolarHBondContact O-CB 3.47Å; A70-C74 PolarHBondContact O-N 3.21Å; A70-C74 PolarHBondContact O-SG 3.41Å; A70-C74 VanDerWaalsContact O-SG 3.34Å |
| 71 | S | 78.4 | Confident | 78.8 | Confident | 6 Ų | 6 | 79.5 Ų | 79.5 | 4% | 0.042 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 177.4 | -167.7 | 0 | 0 | 0 | 0 | 112.1 | F38 V42 S67 I68 S75 | F38-S71 WeakPolarHBondContact CD2-OG 3.39Å; V42-S71 VanDerWaalsContact CG2-OG 3.28Å; V42-S71 WeakPolarHBondContact CG2-OG 3.41Å; S67-S71 WeakPolarHBondContact O-CB 3.36Å; S67-S71 PolarHBondContact O-N 3Å; I68-S71 PolarHBondContact O-N 2.94Å; S71-S75 VanDerWaalsContact O-CB 3.26Å; S71-S75 WeakPolarHBondContact O-CB 3.43Å; S71-S75 PolarHBondContact O-N 3.42Å; S71-S75 PolarHBondContact O-OG 3.15Å; S71-S75 VanDerWaalsContact O-OG 3.12Å |
| 72 | S | 82.4 | Confident | 78.8 | Confident | 65 Ų | 65 | 72.7 Ų | 72.7 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 177 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | I68 V69 A70 S75 Y76 | I68-S72 VanDerWaalsContact O-CB 3.26Å; I68-S72 WeakPolarHBondContact O-CB 3.49Å; I68-S72 PolarHBondContact O-N 2.88Å; V69-S72 PolarHBondContact O-N 2.63Å; A70-S72 VanDerWaalsContact C-N 3.33Å; A70-S72 PolarHBondContact O-N 2.85Å; S72-S75 PolarHBondContact O-N 3.34Å; S72-Y76 WeakPolarHBondContact O-CB 3.31Å; S72-Y76 PolarHBondContact O-N 2.88Å |
| 73 | F | 87.4 | Confident | 78.6 | Confident | 152 Ų | 152 | 67.7 Ų | 67.7 | 67% | 0.667 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.4 | -46.4 | 175.7 | -100.4 | -88.3 | 0 | 0 | 0 | 112.3 | V69 A70 S75 Y76 A77 | V69-F73 HydrophobicContact CG1-CD2 4.28Å; V69-F73 PolarHBondContact O-N 3.46Å; A70-F73 PolarHBondContact O-N 3.4Å; F73-S75 VanDerWaalsContact C-N 3.34Å; F73-S75 PolarHBondContact O-N 2Å; F73-Y76 PolarHBondContact O-N 3.08Å; F73-A77 WeakPolarHBondContact O-CB 3.15Å; F73-A77 PolarHBondContact O-N 2.94Å |
| 74 | C | 79.9 | Confident | 78.5 | Confident | 86 Ų | 86 | 69.9 Ų | 69.9 | 58% | 0.581 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.1 | -44 | 176.8 | -76.3 | 0 | 0 | 0 | 0 | 111.8 | A70 A77 V78 | A70-C74 WeakPolarHBondContact O-CB 3.47Å; A70-C74 PolarHBondContact O-N 3.21Å; A70-C74 PolarHBondContact O-SG 3.41Å; A70-C74 VanDerWaalsContact O-SG 3.34Å; C74-A77 PolarHBondContact O-N 2.9Å; C74-V78 PolarHBondContact O-N 3.2Å |
| 75 | S | 76.7 | Confident | 78.4 | Confident | 15 Ų | 15 | 71.9 Ų | 71.9 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 178 | -71.2 | 0 | 0 | 0 | 0 | 112.9 | F38 S71 S72 F73 A77 V78 T79 | F38-S75 WeakPolarHBondContact CA-OG 3.49Å; F38-S75 WeakPolarHBondContact CB-OG 2.94Å; F38-S75 WeakPolarHBondContact CD2-OG 3.28Å; S71-S75 VanDerWaalsContact O-CB 3.26Å; S71-S75 WeakPolarHBondContact O-CB 3.43Å; S71-S75 PolarHBondContact O-N 3.42Å; S71-S75 PolarHBondContact O-OG 3.15Å; S71-S75 VanDerWaalsContact O-OG 3.12Å; S72-S75 PolarHBondContact O-N 3.34Å; F73-S75 VanDerWaalsContact C-N 3.34Å; F73-S75 PolarHBondContact O-N 2Å; S75-A77 VanDerWaalsContact C-N 3.35Å; S75-A77 PolarHBondContact O-N 3.05Å; S75-V78 WeakPolarHBondContact O-CG1 3.49Å; S75-T79 VanDerWaalsContact O-CB 3.29Å; S75-T79 WeakPolarHBondContact O-CB 3.43Å; S75-T79 PolarHBondContact O-N 3.11Å; S75-T79 PolarHBondContact O-OG1 3.5Å |
| 76 | Y | 79.4 | Confident | 77.7 | Confident | 141 Ų | 141 | 68.1 Ų | 68.1 | 55% | 0.553 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63 | -43.3 | 173.3 | -176 | -100.7 | 0 | 0 | 0 | 111.7 | S72 F73 T79 R80 | S72-Y76 WeakPolarHBondContact O-CB 3.31Å; S72-Y76 PolarHBondContact O-N 2.88Å; F73-Y76 PolarHBondContact O-N 3.08Å; Y76-T79 PolarHBondContact O-N 3.38Å; Y76-R80 HydrophobicContact CD1-CG 4.25Å; Y76-R80 HydrophobicContact CE1-CG 3.73Å; Y76-R80 HydrophobicContact CE2-CG 4.36Å; Y76-R80 WeakPolarHBondContact O-CB 3.44Å; Y76-R80 PolarHBondContact O-N 3.33Å; Y76-R80 PolarHBondContact OH-NE 2.83Å |
| 77 | A | 81.1 | Confident | 77.1 | Confident | 58 Ų | 58 | 66.8 Ų | 66.8 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F73 C74 S75 R80 W81 | F73-A77 WeakPolarHBondContact O-CB 3.15Å; F73-A77 PolarHBondContact O-N 2.94Å; C74-A77 PolarHBondContact O-N 2.9Å; S75-A77 VanDerWaalsContact C-N 3.35Å; S75-A77 PolarHBondContact O-N 3.05Å; A77-R80 PolarHBondContact O-N 3.17Å; A77-W81 WeakPolarHBondContact O-CB 3.35Å; A77-W81 PolarHBondContact O-N 3.27Å |
| 78 | V | 77.8 | Confident | 76.6 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 24% | 0.236 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 178.4 | 75.6 | 0 | 0 | 0 | 0 | 111.4 | C74 S75 W81 E82 | C74-V78 PolarHBondContact O-N 3.2Å; S75-V78 WeakPolarHBondContact O-CG1 3.49Å; V78-W81 PolarHBondContact O-N 3.37Å; V78-E82 HydrophobicContact CG2-CG 4.49Å; V78-E82 WeakPolarHBondContact O-CG 3.42Å; V78-E82 PolarHBondContact O-N 3.38Å |
| 79 | T | 73.2 | Confident | 75.9 | Confident | 29 Ų | 29 | 70.1 Ų | 70.1 | 18% | 0.178 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 174.9 | -64.6 | 0 | 0 | 0 | 0 | 110.5 | G34 S75 Y76 W81 E82 T83 | G34-T79 WeakPolarHBondContact CA-OG1 3.32Å; S75-T79 VanDerWaalsContact O-CB 3.29Å; S75-T79 WeakPolarHBondContact O-CB 3.43Å; S75-T79 PolarHBondContact O-N 3.11Å; S75-T79 PolarHBondContact O-OG1 3.5Å; Y76-T79 PolarHBondContact O-N 3.38Å; T79-W81 VanDerWaalsContact C-N 3.27Å; T79-W81 PolarHBondContact O-N 3.24Å; T79-E82 PolarHBondContact O-N 2.88Å; T79-T83 VanDerWaalsContact O-CB 3.31Å; T79-T83 WeakPolarHBondContact O-CB 3.03Å; T79-T83 PolarHBondContact O-N 2.97Å; T79-T83 PolarHBondContact O-OG1 2.78Å |
| 80 | R | 73.7 | Confident | 75 | Confident | 130 Ų | 130 | 70.1 Ų | 70.1 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.6 | -41.4 | 175.3 | -93.1 | -67.7 | -151.5 | 107.2 | -0.4 | 112.3 | Y76 A77 Q84 | Y76-R80 HydrophobicContact CD1-CG 4.25Å; Y76-R80 HydrophobicContact CE1-CG 3.73Å; Y76-R80 HydrophobicContact CE2-CG 4.36Å; Y76-R80 WeakPolarHBondContact O-CB 3.44Å; Y76-R80 PolarHBondContact O-N 3.33Å; Y76-R80 PolarHBondContact OH-NE 2.83Å; A77-R80 PolarHBondContact O-N 3.17Å; R80-Q84 WeakPolarHBondContact O-CG 3.19Å; R80-Q84 PolarHBondContact O-N 3.13Å |
| 81 | W | 77.6 | Confident | 74 | Confident | 170 Ų | 170 | 71.9 Ų | 71.9 | 64% | 0.644 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -70.1 | -46.1 | -178.4 | -170.1 | 11.4 | 0 | 0 | 0 | 112.3 | A77 V78 T79 Q84 K85 | A77-W81 WeakPolarHBondContact O-CB 3.35Å; A77-W81 PolarHBondContact O-N 3.27Å; V78-W81 PolarHBondContact O-N 3.37Å; T79-W81 VanDerWaalsContact C-N 3.27Å; T79-W81 PolarHBondContact O-N 3.24Å; W81-Q84 PolarHBondContact O-N 3.32Å; W81-K85 PolarHBondContact O-N 3.1Å; W81-K85 VanDerWaalsContact O-N 3.12Å |
| 82 | E | 73.8 | Confident | 73.2 | Confident | 30 Ų | 30 | 74.2 Ų | 74.2 | 14% | 0.14 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 176.8 | -68.8 | -67.7 | 176.3 | 0 | 0 | 111.7 | A30 K33 V78 T79 Q84 K85 C86 | A30-E82 HydrophobicContact CB-CB 4.13Å; K33-E82 HydrophobicContact CD-CG 4.18Å; K33-E82 WeakPolarHBondContact CE-OE1 3.09Å; K33-E82 IonicContact NZ-OE1 3.99Å; K33-E82 PolarHBondContact NZ-OE1 3.49Å; K33-E82 IonicContact NZ-OE2 3.03Å; V78-E82 HydrophobicContact CG2-CG 4.49Å; V78-E82 WeakPolarHBondContact O-CG 3.42Å; V78-E82 PolarHBondContact O-N 3.38Å; T79-E82 PolarHBondContact O-N 2.88Å; E82-Q84 VanDerWaalsContact C-N 3.29Å; E82-Q84 PolarHBondContact O-N 3.47Å; E82-K85 PolarHBondContact O-N 3.03Å; E82-K85 IonicContact OE1-NZ 3.94Å; E82-C86 PolarHBondContact O-N 3.03Å; E82-C86 VanDerWaalsContact O-N 3.08Å; E82-C86 PolarHBondContact O-SG 3.05Å |
| 83 | T | 70.6 | Confident | 72.2 | Confident | 44 Ų | 44 | 76.4 Ų | 76.4 | 27% | 0.27 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62 | -36.8 | 173.3 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | T79 C86 S87 | T79-T83 VanDerWaalsContact O-CB 3.31Å; T79-T83 WeakPolarHBondContact O-CB 3.03Å; T79-T83 PolarHBondContact O-N 2.97Å; T79-T83 PolarHBondContact O-OG1 2.78Å; T83-C86 WeakPolarHBondContact O-CB 3.38Å; T83-C86 PolarHBondContact O-N 2.91Å; T83-S87 PolarHBondContact O-N 3.07Å; T83-S87 VanDerWaalsContact O-N 3.07Å |
| 84 | Q | 70.4 | Confident | 71.1 | Confident | 78 Ų | 78 | 73 Ų | 73 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 175.1 | -78.8 | -161.8 | 5.6 | 0 | 0 | 112.6 | R80 W81 E82 C86 S87 D88 | R80-Q84 WeakPolarHBondContact O-CG 3.19Å; R80-Q84 PolarHBondContact O-N 3.13Å; W81-Q84 PolarHBondContact O-N 3.32Å; E82-Q84 VanDerWaalsContact C-N 3.29Å; E82-Q84 PolarHBondContact O-N 3.47Å; Q84-C86 VanDerWaalsContact C-N 3.32Å; Q84-C86 PolarHBondContact O-N 2.93Å; Q84-S87 PolarHBondContact O-N 3.16Å; Q84-D88 PolarHBondContact O-N 3.32Å |
| 85 | K | 71.3 | Confident | 70.2 | Confident | 96 Ų | 96 | 73.2 Ų | 73.2 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 175 | -66.8 | 177 | -171.9 | 168.2 | 0 | 112.2 | W81 E82 S87 D88 L89 | W81-K85 PolarHBondContact O-N 3.1Å; W81-K85 VanDerWaalsContact O-N 3.12Å; E82-K85 PolarHBondContact O-N 3.03Å; E82-K85 IonicContact OE1-NZ 3.94Å; K85-S87 VanDerWaalsContact C-N 3.34Å; K85-D88 PolarHBondContact O-N 3Å; K85-L89 PolarHBondContact O-N 3.26Å |
| 86 | C | 69 | Low | 69.2 | Low | 10 Ų | 10 | 75.7 Ų | 75.7 | 7% | 0.068 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 174.7 | -70.8 | 0 | 0 | 0 | 0 | 112.6 | C26 E82 T83 Q84 D88 W90 | C26-C86 VanDerWaalsContact C-SG 3.54Å; C26-C86 HydrophobicContact CB-CB 3.56Å; C26-C86 WeakPolarHBondContact CB-SG 3.36Å; C26-C86 PolarHBondContact O-SG 2.86Å; C26-C86 VanDerWaalsContact O-SG 3.33Å; C26-C86 WeakPolarHBondContact SG-CA 3.29Å; C26-C86 WeakPolarHBondContact SG-CB 3.44Å; C26-C86 CovalentContact SG-SG 2Å; C26-C86 PolarHBondContact SG-SG 3.38Å; E82-C86 PolarHBondContact O-N 3.03Å; E82-C86 VanDerWaalsContact O-N 3.08Å; E82-C86 PolarHBondContact O-SG 3.05Å; T83-C86 WeakPolarHBondContact O-CB 3.38Å; T83-C86 PolarHBondContact O-N 2.91Å; Q84-C86 VanDerWaalsContact C-N 3.32Å; Q84-C86 PolarHBondContact O-N 2.93Å; C86-D88 VanDerWaalsContact C-N 3.34Å; C86-W90 PolarHBondContact O-N 3.04Å |
| 87 | S | 67.6 | Low | 67.9 | Low | 53 Ų | 53 | 76.7 Ų | 76.7 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 179.7 | -170 | 0 | 0 | 0 | 0 | 112.4 | T83 Q84 K85 L91 | T83-S87 PolarHBondContact O-N 3.07Å; T83-S87 VanDerWaalsContact O-N 3.07Å; Q84-S87 PolarHBondContact O-N 3.16Å; K85-S87 VanDerWaalsContact C-N 3.34Å; S87-L91 WeakPolarHBondContact O-CB 3.38Å; S87-L91 PolarHBondContact O-N 3.37Å |
| 88 | D | 66.1 | Low | 66.2 | Low | 56 Ų | 56 | 78.7 Ų | 78.7 | 30% | 0.299 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 178.1 | -117.4 | 2.1 | 0 | 0 | 0 | 111.5 | Q84 K85 C86 W90 L91 L92 P99 | Q84-D88 PolarHBondContact O-N 3.32Å; K85-D88 PolarHBondContact O-N 3Å; C86-D88 VanDerWaalsContact C-N 3.34Å; D88-W90 VanDerWaalsContact C-N 3.28Å; D88-W90 PolarHBondContact O-N 3.23Å; D88-L91 PolarHBondContact O-N 2.91Å; D88-L92 WeakPolarHBondContact O-CB 3.47Å; D88-L92 WeakPolarHBondContact O-CD1 3.38Å; D88-L92 PolarHBondContact O-N 3.1Å; D88-P99 WeakPolarHBondContact OD1-CB 3.3Å; D88-P99 VanDerWaalsContact OD1-CD 3.28Å; D88-P99 WeakPolarHBondContact OD1-CD 3.41Å; D88-P99 WeakPolarHBondContact OD1-CG 3.35Å |
| 89 | L | 66.4 | Low | 64.7 | Low | 112 Ų | 112 | 78.9 Ų | 78.9 | 59% | 0.586 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.9 | -39.1 | 179.2 | -142.6 | 85 | 0 | 0 | 0 | 111.4 | K85 L92 L93 | K85-L89 PolarHBondContact O-N 3.26Å; L89-L92 WeakPolarHBondContact O-CB 3.43Å; L89-L92 PolarHBondContact O-N 3.23Å; L89-L93 WeakPolarHBondContact O-CD1 3.2Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 3.45Å; L89-L93 VanDerWaalsContact O-N 3.1Å |
| 90 | W | 67.4 | Low | 63.4 | Low | 73 Ų | 73 | 83.9 Ų | 83.9 | 28% | 0.277 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 174 | 179.8 | 72.1 | 0 | 0 | 0 | 111.8 | G19 C86 D88 L92 L93 E94 | G19-W90 VanDerWaalsContact CA-NE1 3.31Å; G19-W90 PolarHBondContact O-NE1 2.85Å; C86-W90 PolarHBondContact O-N 3.04Å; D88-W90 VanDerWaalsContact C-N 3.28Å; D88-W90 PolarHBondContact O-N 3.23Å; W90-L92 VanDerWaalsContact C-N 3.28Å; W90-L92 PolarHBondContact O-N 2.78Å; W90-L93 PolarHBondContact O-N 3.36Å; W90-E94 PolarHBondContact O-N 3.05Å; W90-E94 VanDerWaalsContact O-N 3.11Å |
| 91 | L | 63.5 | Low | 62.4 | Low | 66 Ų | 66 | 86.8 Ų | 86.8 | 35% | 0.346 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 179.7 | -156.2 | 112.6 | 0 | 0 | 0 | 111.5 | S87 D88 E94 T95 P99 | S87-L91 WeakPolarHBondContact O-CB 3.38Å; S87-L91 PolarHBondContact O-N 3.37Å; D88-L91 PolarHBondContact O-N 2.91Å; L91-E94 PolarHBondContact O-N 3.5Å; L91-T95 PolarHBondContact O-N 3.02Å; L91-T95 PolarHBondContact O-OG1 3.31Å; L91-P99 HydrophobicContact CD2-CG 3.41Å; L91-P99 VanDerWaalsContact CD2-CG 3.41Å |
| 92 | L | 62.6 | Low | 60.8 | Low | 55 Ų | 55 | 82.6 Ų | 82.6 | 29% | 0.288 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 174 | -95.4 | 152.9 | 0 | 0 | 0 | 113.4 | D88 L89 W90 G96 V98 | D88-L92 WeakPolarHBondContact O-CB 3.47Å; D88-L92 WeakPolarHBondContact O-CD1 3.38Å; D88-L92 PolarHBondContact O-N 3.1Å; L89-L92 WeakPolarHBondContact O-CB 3.43Å; L89-L92 PolarHBondContact O-N 3.23Å; W90-L92 VanDerWaalsContact C-N 3.28Å; W90-L92 PolarHBondContact O-N 2.78Å; L92-G96 WeakPolarHBondContact O-CA 3.34Å; L92-G96 PolarHBondContact O-N 3.28Å; L92-V98 HydrophobicContact CD1-CG2 4.48Å; L92-V98 HydrophobicContact CD2-CB 4.19Å; L92-V98 HydrophobicContact CD2-CG2 3.59Å; L92-V98 HydrophobicContact CG-CG2 4.46Å |
| 93 | L | 61.9 | Low | 59 | Low | 112 Ų | 112 | 86.5 Ų | 86.5 | 59% | 0.586 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -70.7 | -34.2 | 178 | -74.7 | 156.5 | 0 | 0 | 0 | 112 | L89 W90 | L89-L93 WeakPolarHBondContact O-CD1 3.2Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 3.45Å; L89-L93 VanDerWaalsContact O-N 3.1Å; W90-L93 PolarHBondContact O-N 3.36Å |
| 94 | E | 63.2 | Low | 57.5 | Low | 80 Ų | 80 | 90.4 Ų | 90.4 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -84 | -37.9 | -178 | -158.1 | 79.4 | -167.9 | 0 | 0 | 112.8 | H17 W90 L91 | H17-E94 IonicContact CE1-OE1 2.72Å; H17-E94 IonicContact ND1-OE1 3.69Å; H17-E94 PolarHBondContact ND1-OE1 3.42Å; W90-E94 PolarHBondContact O-N 3.05Å; W90-E94 VanDerWaalsContact O-N 3.11Å; L91-E94 PolarHBondContact O-N 3.5Å |
| 95 | T | 61.4 | Low | 55.8 | Low | 90 Ų | 90 | 91.9 Ų | 91.9 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -110.3 | -8.9 | -175.4 | 51 | 0 | 0 | 0 | 0 | 114.9 | L91 K97 | L91-T95 PolarHBondContact O-N 3.02Å; L91-T95 PolarHBondContact O-OG1 3.31Å; T95-K97 PolarHBondContact O-N 2.89Å; T95-K97 VanDerWaalsContact O-N 3.15Å |
| 96 | G | 56 | Low | 54.1 | Low | 68 Ų | 68 | 93.1 Ų | 93.1 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 64.8 | 12.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L92 | L92-G96 WeakPolarHBondContact O-CA 3.34Å; L92-G96 PolarHBondContact O-N 3.28Å |
| 97 | K | 51.7 | Low | 52.9 | Low | 161 Ų | 161 | 99.1 Ų | 99.1 | 70% | 0.7 | 57% | 0.565 | S | S | * | * | trans | -127 | 126.9 | -172.4 | -149.2 | 177.1 | -179.2 | 82.2 | 0 | 109.9 | T95 P99 | T95-K97 PolarHBondContact O-N 2.89Å; T95-K97 VanDerWaalsContact O-N 3.15Å; K97-P99 WeakPolarHBondContact O-CD 3.16Å | ||
| 98 | V | 44.8 | Very low | 51.1 | Low | 101 Ų | 101 | 103.2 Ų | 103.2 | 61% | 0.612 | 59% | 0.587 | S | S | * | * | trans | -71 | 126.4 | 176.2 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | L92 D100 | L92-V98 HydrophobicContact CD1-CG2 4.48Å; L92-V98 HydrophobicContact CD2-CB 4.19Å; L92-V98 HydrophobicContact CD2-CG2 3.59Å; L92-V98 HydrophobicContact CG-CG2 4.46Å; V98-D100 PolarHBondContact O-N 3.33Å | ||
| 99 | P | 47.5 | Very low | 49.4 | Very low | 42 Ų | 42 | 105.5 Ų | 105.5 | 27% | 0.273 | 61% | 0.608 | S | S | . | * | trans | -72.5 | 105.9 | 164.7 | -18.7 | 37 | 0 | 0 | 0 | 107.7 | D88 L91 K97 R101 | D88-P99 WeakPolarHBondContact OD1-CB 3.3Å; D88-P99 VanDerWaalsContact OD1-CD 3.28Å; D88-P99 WeakPolarHBondContact OD1-CD 3.41Å; D88-P99 WeakPolarHBondContact OD1-CG 3.35Å; L91-P99 HydrophobicContact CD2-CG 3.41Å; L91-P99 VanDerWaalsContact CD2-CG 3.41Å; K97-P99 WeakPolarHBondContact O-CD 3.16Å; P99-R101 PolarHBondContact O-N 3.01Å | ||
| 100 | D | 44 | Very low | 47.7 | Very low | 134 Ų | 134 | 108.2 Ų | 108.2 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | trans | -68.5 | 108.6 | 171.3 | -156.5 | -58 | 0 | 0 | 0 | 108 | V98 S102 | V98-D100 PolarHBondContact O-N 3.33Å; D100-S102 PolarHBondContact OD1-N 2.98Å; D100-S102 PolarHBondContact OD1-OG 3.18Å | ||
| 101 | R | 52.9 | Low | 46.3 | Very low | 192 Ų | 192 | 109.6 Ų | 109.6 | 73% | 0.725 | 64% | 0.635 | S | S | * | * | trans | -116.8 | 54.3 | 173.9 | -143.3 | 176.6 | -168.2 | 153.8 | 6.5 | 109.9 | P99 | P99-R101 PolarHBondContact O-N 3.01Š| ||
| 102 | S | 44.4 | Very low | 44.7 | Very low | 81 Ų | 81 | 114.3 Ų | 114.3 | 57% | 0.566 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 139.8 | 154.8 | -64.4 | 0 | 0 | 0 | 0 | 109.5 | D100 | D100-S102 PolarHBondContact OD1-N 2.98Å; D100-S102 PolarHBondContact OD1-OG 3.18Å |
| 103 | P | 36.7 | Very low | 43.1 | Very low | 113 Ų | 113 | 119.4 Ų | 119.4 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 143.6 | 176.5 | 26 | -32.3 | 0 | 0 | 0 | 109 | P105 | P103-P105 VanDerWaalsContact O-CD 3.23Å; P103-P105 WeakPolarHBondContact O-CD 3.44Å; P103-P105 VanDerWaalsContact O-N 3.15Å |
| 104 | P | 38.4 | Very low | 42.1 | Very low | 125 Ų | 125 | 119.1 Ų | 119.1 | 81% | 0.812 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 120.7 | -169.2 | 24.4 | -33 | 0 | 0 | 0 | 110.6 | ||
| 105 | P | 35.2 | Very low | 40.8 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 152.7 | 159 | 24.5 | -16.4 | 0 | 0 | 0 | 109.2 | P103 | P103-P105 VanDerWaalsContact O-CD 3.23Å; P103-P105 WeakPolarHBondContact O-CD 3.44Å; P103-P105 VanDerWaalsContact O-N 3.15Å |
| 106 | P | 35.2 | Very low | 39.5 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 144.3 | -166.5 | 28.9 | -33.8 | 0 | 0 | 0 | 112.4 | ||
| 107 | T | 42.9 | Very low | 38.7 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | trans | -4.9 | 116.6 | 165.6 | -45.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 108 | V | 30 | Very low | 38.3 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | trans | -144.1 | 134.5 | 148.1 | -168.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 109 | S | 32.2 | Very low | 38 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -64.7 | 142.5 | -174.8 | 39.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 110 | H | 30.6 | Very low | 38.4 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | trans | 29.3 | 157.1 | 146 | -105.6 | -101.5 | 0 | 0 | 0 | 121.5 | ||||
| 111 | P | 37.6 | Very low | 38.8 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | cis | -142.9 | 169.7 | 17.8 | 36 | -12 | 0 | 0 | 0 | 118.9 | ||||
| 112 | E | 29.8 | Very low | 38.6 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | trans | 21.2 | 133.5 | 150.2 | -68.5 | 161.8 | 101.8 | 0 | 0 | 123.4 | ||||
| 113 | D | 28.4 | Very low | 38.9 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | -168.6 | 146.8 | 113.1 | -114.7 | -57.4 | 0 | 0 | 0 | 112.2 | |||||
| 114 | P | 40.4 | Very low | 39.5 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 69% | 0.688 | 76% | 0.759 | S | S | * | * | trans | -109.2 | 116.9 | -161 | 36.9 | -25 | 0 | 0 | 0 | 113.1 | ||||
| 115 | K | 36.2 | Very low | 40.1 | Very low | 216 Ų | 216 | 138.3 Ų | 138.3 | 94% | 0.939 | 76% | 0.759 | S | S | * | * | trans | -174.8 | 100.3 | 156.6 | -120.3 | 175.9 | 177.4 | -179 | 0 | 111.5 | ||||
| 116 | A | 34 | Very low | 40.6 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | -158.6 | 112.1 | 148.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 117 | A | 39.6 | Very low | 40.7 | Very low | 100 Ų | 100 | 147.9 Ų | 147.9 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | -52.5 | 137.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | K119 | A117-K119 PolarHBondContact O-N 2.97Å; A117-K119 VanDerWaalsContact O-N 3.12Å | ||
| 118 | Q | 44.5 | Very low | 40.6 | Very low | 199 Ų | 199 | 148.5 Ų | 148.5 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | trans | -16.1 | 97.3 | 162.9 | -166.8 | 175.3 | 66.3 | 0 | 0 | 115 | ||||
| 119 | K | 38.4 | Very low | 41.2 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | trans | -112.7 | 125.6 | 162.4 | -142.4 | 178.2 | -172.4 | 179.2 | 0 | 107.6 | A117 | A117-K119 PolarHBondContact O-N 2.97Å; A117-K119 VanDerWaalsContact O-N 3.12Å | ||
| 120 | T | 54.5 | Low | 41.7 | Very low | 75 Ų | 75 | 151.4 Ų | 151.4 | 46% | 0.46 | 78% | 0.783 | S | S | . | * | trans | -69.3 | 155.3 | -179 | 64.9 | 0 | 0 | 0 | 0 | 110.2 | Y122 G123 | T120-Y122 PolarHBondContact O-N 2.74Å; T120-G123 PolarHBondContact O-N 3.34Å; T120-G123 VanDerWaalsContact O-N 3.09Å | ||
| 121 | K | 52.4 | Low | 42.3 | Very low | 193 Ų | 193 | 150.5 Ų | 150.5 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -11.4 | -172.2 | -168.1 | 178.6 | 176.5 | -171.6 | 0 | 114.8 | ||
| 122 | Y | 50.2 | Low | 42.6 | Very low | 198 Ų | 198 | 153.4 Ų | 153.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.1 | 9.3 | -177.5 | -76.2 | -83.8 | 0 | 0 | 0 | 114.8 | T120 D124 | T120-Y122 PolarHBondContact O-N 2.74Å; Y122-D124 VanDerWaalsContact C-N 3.29Å; Y122-D124 PolarHBondContact O-N 3.46Å |
| 123 | G | 50.3 | Low | 43.5 | Very low | 45 Ų | 45 | 152.7 Ų | 152.7 | 46% | 0.464 | 79% | 0.792 | S | S | . | * | trans | 70.4 | 12.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | T120 | T120-G123 PolarHBondContact O-N 3.34Å; T120-G123 VanDerWaalsContact O-N 3.09Å | ||
| 124 | D | 49.5 | Very low | 44.6 | Very low | 128 Ų | 128 | 152 Ų | 152 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 135.7 | 167.2 | -75.8 | -46.8 | 0 | 0 | 0 | 110.5 | Y122 | Y122-D124 VanDerWaalsContact C-N 3.29Å; Y122-D124 PolarHBondContact O-N 3.46Å |
| 125 | E | 49.7 | Very low | 44.9 | Very low | 175 Ų | 175 | 155.5 Ų | 155.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 125.8 | 170.6 | -58.5 | -164 | 153.4 | 0 | 0 | 108.5 | ||
| 126 | M | 45.9 | Very low | 45.6 | Very low | 161 Ų | 161 | 150.5 Ų | 150.5 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 120.7 | 175.4 | -52.9 | -75.2 | -69.3 | 0 | 0 | 107.4 | ||
| 127 | E | 38.6 | Very low | 46.7 | Very low | 272 Ų | 272 | 155.1 Ų | 155.1 | 100% | 1.271 | 78% | 0.778 | S | S | * | * | trans | -72.4 | 0 | 161.2 | -122.5 | 178.7 | 108.7 | 0 | 0 | 110.7 |
Retrieved 127 of 127 residues in 144.7 ms
(Link to these results)